Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4967709

NCCCOCCOCCOCCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.47
▸ PTGS1 P23219 7/20 0.42
▸ PTGS2 P35354 7/20 0.42
▸ FAAH O00519 4/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL2385691 0.87 PTGS1 (0.50) MGLLPTGS1PTGS2FAAHHSP90AA1
Trifluoroacetic Acid SCHEMBL18261569 0.86 MGLL (0.59) MGLLPTGS1PTGS2FAAHHSP90AA1
Trifluoroacetic Acid SCHEMBL16970580 0.85 MGLL (0.53) MGLLPTGS1PTGS2FAAHHSP90AA1
Trifluoroacetic Acid SCHEMBL3420976 0.84 MGLL (0.56) MGLLPTGS1PTGS2FAAHHSP90AA1
Trifluoroacetic Acid SCHEMBL6991874 0.84 PTGS1 (0.56) MGLLPTGS1PTGS2FAAHHSP90AA1
Trifluoroacetic Acid SCHEMBL4971470 0.84 PTGS1 (0.56) MGLLPTGS1PTGS2FAAHHSP90AA1
Trifluoroacetic Acid SCHEMBL6442497 0.81 MGLL (0.42) MGLLPTGS1PTGS2FAAHALDH1A1
Trifluoroacetic Acid SCHEMBL247137 0.80 PTGS1 (0.44) MGLLPTGS1PTGS2FAAHHSP90AA1
SCHEMBL10072540 0.78 MGLL (0.75) MGLLPTGS1PTGS2FAAHHSP90AA1
SCHEMBL15503283 0.78 MGLL (0.75) MGLLPTGS1PTGS2FAAHHSP90AA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585791-B1 HYDROPHILIC, THIOL-REACTIVE CYANINE DYES AND CONJUGATES THEREOF WITH BIOMOLECULES FOR FLUORESCENCE DIAGNOSIS BAYER SCHERING PHARMA AG (DE) 2008-09-24 — — EP disclosed
CN-101022835-A Antibody conjugated cyanine dyes for the diagnosis of micrometastasis BAYER SCHERING PHARMA AG (DE) 2007-08-22 — — CN disclosed
EP-1816475-A1 Use of cyanine dyes for the diagnosis of disease associated with angiogenesis Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-08 — — EP disclosed
EP-1784226-A2 CYANINE DYES CONJUGATED WITH ANTIBODIES FOR THE DIAGNOSIS OF MICROMETASTASIS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-05-16 — — EP disclosed
CN-1742057-A Hydrophilic, thiol-reactive cyanine dyes and conjugates thereof with biomolecules for fluorescence diagnosis SCHERING AG (DE) 2006-03-01 — — CN disclosed
US-20060039863-A1 Use of cyanine dyes for the diagnosis of disease associated with angiogenesis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-02-23 — — US disclosed
WO-2006008179-A2 CYANINE DYES CONJUGATED WITH ANTIBODIES FOR THE DIAGNOSIS OF MICROMETASTASIS SCHERING AG (DE) 2006-01-26 — — WO disclosed
EP-1619501-A1 Use of cyanine dyes for the diagnosis of disease associated with angiogenesis Schering AG (DE) 2006-01-25 — — EP disclosed
EP-1585791-A1 HYDROPHILIC, THIOL-REACTIVE CYANINE DYES AND CONJUGATES THEREOF WITH BIOMOLECULES FOR FLUORESCENCE DIAGNOSIS Schering AG (DE) 2005-10-19 — — EP disclosed
US-20040260072-A1 Hydrophilic, thiol-reactive cyanine dyes and conjugates thereof with biomolecules for fluorescence diagnosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-23 — — US disclosed
WO-2004065491-A1 HYDROPHILIC, THIOL-REACTIVE CYANINE DYES AND CONJUGATES THEREOF WITH BIOMOLECULES FOR FLUORESCENCE DIAGNOSIS SCHERING AG (DE) 2004-08-05 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040260072-A1 Hydrophilic, thiol-reactive cyanine dyes and conjugates thereof with biomolecules for fluorescence diagnosis TST, ABCG2, SPR MGLL 4340/4885PTGS1 2569/4885PTGS2 2599/4885
US-20060039863-A1 Use of cyanine dyes for the diagnosis of disease associated with angiogenesis MYADM, CD14, CD68 MGLL 4848/4885PTGS1 3124/4885PTGS2 3402/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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